Dimethyl 4,7-bis(3-methoxy-3-oxopropyl)-4,7-dinitrodecanedioate
TL;DR: Dimethyl 4,7-bis(3-methoxy-3-oxopropyl)-4,7-dinitrodecanedioate (CAS 7465-52-3) is a chemical compound with molecular formula C20H32N2O12 and molecular weight 492.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4,7-bis(3-methoxy-3-oxopropyl)-4,7-dinitrodecanedioate
Also Known As: dimethyl 4,7-bis(3-methoxy-3-oxopropyl)-4,7-dinitrodecanedioate, dimethyl 4,7-bis(3-methoxy-3-oxopropyl)-4,7-dinitrodecanedio
| Molecular Formula | C20H32N2O12 |
|---|---|
| Molecular Weight | 492.20 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 19 |
| Exact Mass | 492.19553 |
| Heavy Atoms | 34 |
| Complexity | 639.0 |
Chemical Identifiers
| CAS Number | 7465-52-3 |
|---|---|
| SMILES | COC(=O)CCC(CCC(=O)OC)(CCC(CCC(=O)OC)(CCC(=O)OC)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | ROBBWICTEIZDHS-UHFFFAOYSA-N |
Product Overview
Dimethyl 4,7-bis(3-methoxy-3-oxopropyl)-4,7-dinitrodecanedioate (CAS 7465-52-3), with molecular formula C20H32N2O12 and molecular weight 492.20 g/mol. IUPAC: dimethyl 4,7-bis(3-methoxy-3-oxopropyl)-4,7-dinitrodecanedioate.
Chemical Property Profile of Dimethyl 4,7-bis(3-methoxy-3-oxopropyl)-4,7-dinitrodecanedioate
Property Insights of Dimethyl 4,7-bis(3-methoxy-3-oxopropyl)-4,7-dinitrodecanedioate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 4,7-bis(3-methoxy-3-oxopropyl)-4,7-dinitrodecanedioate. The TPSA of 197.0 Ų indicates high polarity, suggesting Dimethyl 4,7-bis(3-methoxy-3-oxopropyl)-4,7-dinitrodecanedioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dimethyl 4,7-bis(3-methoxy-3-oxopropyl)-4,7-dinitrodecanedioate has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dimethyl 4,7-bis(3-methoxy-3-oxopropyl)-4,7-dinitrodecanedioate?
The CAS number of Dimethyl 4,7-bis(3-methoxy-3-oxopropyl)-4,7-dinitrodecanedioate is 7465-52-3.
What is the molecular formula of Dimethyl 4,7-bis(3-methoxy-3-oxopropyl)-4,7-dinitrodecanedioate?
The molecular formula of Dimethyl 4,7-bis(3-methoxy-3-oxopropyl)-4,7-dinitrodecanedioate is C20H32N2O12.
What is the molecular weight of Dimethyl 4,7-bis(3-methoxy-3-oxopropyl)-4,7-dinitrodecanedioate?
The molecular weight of Dimethyl 4,7-bis(3-methoxy-3-oxopropyl)-4,7-dinitrodecanedioate is 492.20 g/mol.
Where can I buy Dimethyl 4,7-bis(3-methoxy-3-oxopropyl)-4,7-dinitrodecanedioate?
You can request a quote for Dimethyl 4,7-bis(3-methoxy-3-oxopropyl)-4,7-dinitrodecanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 4,7-bis(3-methoxy-3-oxopropyl)-4,7-dinitrodecanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 4,7-bis(3-methoxy-3-oxopropyl)-4,7-dinitrodecanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.